6BCI

Wild-type I-LtrI bound to non-cognate C4 substrate (pre-cleavage complex)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9798
Spacegroup name	C 1 2 1
Unit cell lengths	117.530, 43.610, 105.710
Unit cell angles	90.00, 105.94, 90.00

Refinement procedure

Resolution	33.882 - 2.280
R-factor	0.2388
Rwork	0.237
R-free	0.26830
RMSD bond length	0.005
RMSD bond angle	0.765
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.510	2.384
High resolution limit [Å]	2.280	2.280
Rmerge	0.047
Number of reflections	23935
<I/σ(I)>	8.9	2
Completeness [%]	100.0	99.9
Redundancy	4.8	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M TRIS pH 7.0 20%W/V PEG 2000 MME